ChemSpider 2D Image | 2-{4-[(2-Methyl-2-propen-1-yl)amino]phenyl}(3,3,3-~2~H_3_)propanoic acid | C13H14D3NO2

2-{4-[(2-Methyl-2-propen-1-yl)amino]phenyl}(3,3,3-2H3)propanoic acid

  • Molecular FormulaC13H14D3NO2
  • Average mass222.298 Da
  • Monoisotopic mass222.144760 Da
  • ChemSpider ID48058091

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{4-[(2-Methyl-2-propen-1-yl)amino]phenyl}(3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
2-{4-[(2-Methyl-2-propen-1-yl)amino]phenyl}(3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-{4-[(2-méthyl-2-propén-1-yl)amino]phényl}(3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(methyl-d3)-4-[(2-methyl-2-propen-1-yl)amino]- [ACD/Index Name]
1794977-21-1 [RN]
3,3,3-trideuterio-2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
rac Alminoprofen-d3

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 373.1±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.4±3.0 kJ/mol
    Flash Point: 179.4±24.6 °C
    Index of Refraction: 1.571
    Molar Refractivity: 65.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.51
    ACD/LogD (pH 5.5): 1.94
    ACD/BCF (pH 5.5): 10.89
    ACD/KOC (pH 5.5): 108.63
    ACD/LogD (pH 7.4): 0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.99
    Polar Surface Area: 49 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 43.2±3.0 dyne/cm
    Molar Volume: 198.0±3.0 cm3

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